2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile

C8H12N4OS — CID 62253852

IUPAC2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile
SMILESCc1nnc(SCCC(C)(N)C#N)o1
InChIInChI=1S/C8H12N4OS/c1-6-11-12-7(13-6)14-4-3-8(2,10)5-9/h3-4,10H2,1-2H3
InChIKeyJIIILVUAKGCDSL-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile

2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile (PubChem CID 62253852) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile
PubChem CID62253852
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile
SMILESCc1nnc(SCCC(C)(N)C#N)o1
InChIInChI=1S/C8H12N4OS/c1-6-11-12-7(13-6)14-4-3-8(2,10)5-9/h3-4,10H2,1-2H3
InChIKeyJIIILVUAKGCDSL-UHFFFAOYSA-N
XLogP1.10
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile (CID 62253852) is 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile is Cc1nnc(SCCC(C)(N)C#N)o1.
What is the InChIKey of 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile?
The InChIKey is JIIILVUAKGCDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-6-11-12-7(13-6)14-4-3-8(2,10)5-9/h3-4,10H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile?
2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile has a molecular weight of 212.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile is sourced from PubChem (CID 62253852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).